5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C25H34FN5O4S — CID 155527818

IUPAC5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccc(F)cn3)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C25H34FN5O4S/c26-19-5-8-22(27-14-19)15-28-20-6-1-17(2-7-20)16-36(33,34)31-11-9-21(10-12-31)29-25(32)23-13-24(35-30-23)18-3-4-18/h5,8,13-14,17-18,20-21,28H,1-4,6-7,9-12,15-16H2,(H,29,32)
InChIKeyBJBVCVJJHUAAGV-UHFFFAOYSA-N
MW519.64 g/mol
LogP2.96
Rot. Bonds9

About 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155527818) has the molecular formula C25H34FN5O4S and a molecular weight of 519.64 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID155527818
Molecular FormulaC25H34FN5O4S
Molecular Weight519.64 g/mol
Exact Mass519.23
IUPAC Name5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccc(F)cn3)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C25H34FN5O4S/c26-19-5-8-22(27-14-19)15-28-20-6-1-17(2-7-20)16-36(33,34)31-11-9-21(10-12-31)29-25(32)23-13-24(35-30-23)18-3-4-18/h5,8,13-14,17-18,20-21,28H,1-4,6-7,9-12,15-16H2,(H,29,32)
InChIKeyBJBVCVJJHUAAGV-UHFFFAOYSA-N
XLogP2.96
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 155527818) is 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)CC2CCC(NCc3ccc(F)cn3)CC2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is BJBVCVJJHUAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O4S/c26-19-5-8-22(27-14-19)15-28-20-6-1-17(2-7-20)16-36(33,34)31-11-9-21(10-12-31)29-25(32)23-13-24(35-30-23)18-3-4-18/h5,8,13-14,17-18,20-21,28H,1-4,6-7,9-12,15-16H2,(H,29,32).
What are the key properties of 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 519.64 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155527818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).